1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine

C11H18F3N3 — CID 105174400

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine
SMILESCCn1nc(C)cc1C(N)CCCC(F)(F)F
InChIInChI=1S/C11H18F3N3/c1-3-17-10(7-8(2)16-17)9(15)5-4-6-11(12,13)14/h7,9H,3-6,15H2,1-2H3
InChIKeyNJHBZVCSQBPXHS-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.94
Rot. Bonds5

About 1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine

1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine (PubChem CID 105174400) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine
PubChem CID105174400
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine
SMILESCCn1nc(C)cc1C(N)CCCC(F)(F)F
InChIInChI=1S/C11H18F3N3/c1-3-17-10(7-8(2)16-17)9(15)5-4-6-11(12,13)14/h7,9H,3-6,15H2,1-2H3
InChIKeyNJHBZVCSQBPXHS-UHFFFAOYSA-N
XLogP2.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine
CID 105156471
1-(2-ethyl-5-methylpyrazol-3-yl)hex-5-yn-1-amine
CID 105179636
1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 105123659
1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol
CID 105083085
1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol
CID 105085263
2-cyclohexyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105135780
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105188301
(2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786617
3,5-dimethyl-1-(4,4,4-trifluorobutyl)pyrazole
CID 115518541
1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105174359
(2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 105092804
2-(2,3-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105137759

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine (CID 105174400) is 1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine is CCn1nc(C)cc1C(N)CCCC(F)(F)F.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine?
The InChIKey is NJHBZVCSQBPXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3/c1-3-17-10(7-8(2)16-17)9(15)5-4-6-11(12,13)14/h7,9H,3-6,15H2,1-2H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine?
1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine has a molecular weight of 249.28 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 105174400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).